N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-ylpyridin-3-yl)thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-ylpyridin-3-yl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-yl-3-pyridyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-[6-(1-piperazinyl)-3-pyridinyl]-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazin-1-ylpyridin-3-yl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(6-piperazino-3-pyridyl)-3-thienyl]amino]valeramide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CN=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CN=C(C=C2)N3CCNCC3

InChI

InChI=1S/C21H28N6OS/c1-15(2)11-18(21(28)24-6-5-22)26-19-14-29-13-17(19)16-3-4-20(25-12-16)27-9-7-23-8-10-27/h3-4,12-15,18,23,26H,6-11H2,1-2H3,(H,24,28)